SCHEMBL7684643

SCHEMBL7684643

Cc1ccc(OCc2nc3c(O)cccc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
GRIN1 Q05586 1/20 0.56
GRIN2B Q13224 1/20 0.56
TP53 P04637 3/20 0.47
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7687482 0.86 RAB9A (0.63) NPC1RAB9ASMN1; SMN2GRIN1GRIN2B
SCHEMBL7686239 0.80 GRIN1 (0.49) NPC1RAB9ASMN1; SMN2GRIN1GRIN2B
SCHEMBL7689730 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2GRIN1GRIN2B
SCHEMBL7685877 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL7684653 0.78 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2248644 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL8668275 0.76 RAB9A (0.61) NPC1RAB9ASMN1; SMN2GRIN1GRIN2B
SCHEMBL7689804 0.76 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL10869434 0.76 GRIN1 (0.74) NPC1RAB9ASMN1; SMN2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL10410762 0.75 GRIN1 (0.73) GRIN1GRIN2BKMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R NPC1 1857/4885RAB9A 3072/4885SMN1; SMN2 2698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.